SCHEMBL28634201

SCHEMBL28634201

CC(C)(C)C(O)c1cc(Br)cnc1Cl

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19209834 0.81 KMT2A (0.35) PLAUS1PR1S1PR3MEN1TP53
SCHEMBL2968350 0.80 GABRA1 (0.36) PLAUS1PR1S1PR3MEN1TP53
SCHEMBL25742569 0.77 PLAU (0.41) PLAUS1PR1S1PR3MEN1MAPT
SCHEMBL30708686 0.77 PLAU (0.41) PLAUS1PR1S1PR3MEN1MAPT
SCHEMBL20390070 0.76 GABRA1 (0.43) PLAUS1PR1S1PR3MEN1TP53
SCHEMBL28553372 0.74 S1PR1 (0.35) PLAUS1PR1S1PR3MEN1TP53
SCHEMBL29555695 0.74 S1PR1 (0.35) PLAUS1PR1S1PR3MEN1TP53
SCHEMBL31254116 0.73 PLAU (0.32) PLAUS1PR1S1PR3MEN1TP53
SCHEMBL27841463 0.72 KMT2A (0.37) PLAUS1PR1S1PR3MEN1TP53
SCHEMBL2352100 0.72 HTT (0.34) PLAUS1PR1S1PR3KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602799-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2021-08-03 CN disclosed